methyl 6-tert-butyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(3-chloroanilino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-21(2,3)12-8-9-15-16(10-12)28-18(17(15)19(25)27-4)24-20(26)23-14-7-5-6-13(22)11-14/h5-7,11-12H,8-10H2,1-4H3,(H2,23,24,26)